N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide

C24H24FN3O3 — CID 90516201

IUPACN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H24FN3O3/c25-20-8-6-18(7-9-20)21-16-22(29)28(17-27-21)13-12-26-23(30)24(10-14-31-15-11-24)19-4-2-1-3-5-19/h1-9,16-17H,10-15H2,(H,26,30)
InChIKeyXNYITAXDUXOEDK-UHFFFAOYSA-N
MW421.47 g/mol
LogP2.91
Rot. Bonds6

About N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide (PubChem CID 90516201) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide
PubChem CID90516201
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H24FN3O3/c25-20-8-6-18(7-9-20)21-16-22(29)28(17-27-21)13-12-26-23(30)24(10-14-31-15-11-24)19-4-2-1-3-5-19/h1-9,16-17H,10-15H2,(H,26,30)
InChIKeyXNYITAXDUXOEDK-UHFFFAOYSA-N
XLogP2.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90516199
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516229
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168298
N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456804
2-(4-bromophenyl)-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516071
N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide
CID 56763634
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 90516273
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 90516061
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,5-dimethylbenzamide
CID 90516106
2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516017
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516462
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,4-dimethylbenzamide
CID 90516097

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide (CID 90516201) is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide is O=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide?
The InChIKey is XNYITAXDUXOEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c25-20-8-6-18(7-9-20)21-16-22(29)28(17-27-21)13-12-26-23(30)24(10-14-31-15-11-24)19-4-2-1-3-5-19/h1-9,16-17H,10-15H2,(H,26,30).
What are the key properties of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide?
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide has a molecular weight of 421.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 90516201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).